2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]carbonylamino]-3-oxidanyl-propanoic acid Openeye Name: 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]-3-hydroxy-propanoic acid CAS Name: 2-[[[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-oxomethyl]amino]-3-hydroxypropanoic acid IUPAC Name: 2-[[3-[bis(2-chloroethyl)amino]-4-methylbenzoyl]amino]-3-hydroxypropanoic acid Traditional Name: 2-[[3-[bis(2-chloroethyl)amino]-4-methyl-benzoyl]amino]-3-hydroxy-propionic acid Formula: C15H20Cl2N2O4 MolecularWeight: 363.2363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC(CO)C(=O)O)N(CCCl)CCCl

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC(CO)C(=O)O)N(CCCl)CCCl

InChI

InChI=1S/C15H20Cl2N2O4/c1-10-2-3-11(14(21)18-12(9-20)15(22)23)8-13(10)19(6-4-16)7-5-17/h2-3,8,12,20H,4-7,9H2,1H3,(H,18,21)(H,22,23)